(E)-3-[5-(2-fluorophenyl)furan-2-yl]-1-pyridin-3-ylprop-2-en-1-one

C18H12FNO2 — CID 9185084

IUPAC(E)-3-[5-(2-fluorophenyl)furan-2-yl]-1-pyridin-3-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc(-c2ccccc2F)o1)c1cccnc1
InChIInChI=1S/C18H12FNO2/c19-16-6-2-1-5-15(16)18-10-8-14(22-18)7-9-17(21)13-4-3-11-20-12-13/h1-12H/b9-7+
InChIKeyDFTHAQXITXYPSD-VQHVLOKHSA-N
MW293.30 g/mol
LogP4.38
Rot. Bonds4

About (E)-3-[5-(2-fluorophenyl)furan-2-yl]-1-pyridin-3-ylprop-2-en-1-one

(E)-3-[5-(2-fluorophenyl)furan-2-yl]-1-pyridin-3-ylprop-2-en-1-one (PubChem CID 9185084) has the molecular formula C18H12FNO2 and a molecular weight of 293.30 g/mol. Its IUPAC name is (E)-3-[5-(2-fluorophenyl)furan-2-yl]-1-pyridin-3-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-[5-(2-fluorophenyl)furan-2-yl]-1-pyridin-3-ylprop-2-en-1-one
PubChem CID9185084
Molecular FormulaC18H12FNO2
Molecular Weight293.30 g/mol
Exact Mass293.09
IUPAC Name(E)-3-[5-(2-fluorophenyl)furan-2-yl]-1-pyridin-3-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc(-c2ccccc2F)o1)c1cccnc1
InChIInChI=1S/C18H12FNO2/c19-16-6-2-1-5-15(16)18-10-8-14(22-18)7-9-17(21)13-4-3-11-20-12-13/h1-12H/b9-7+
InChIKeyDFTHAQXITXYPSD-VQHVLOKHSA-N
XLogP4.38
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(5-iodofuran-2-yl)-1-pyridin-3-ylprop-2-en-1-one
CID 4227278
(Z)-3-(5-iodofuran-2-yl)-1-pyridin-3-ylprop-2-en-1-one
CID 93286349
N'-[5-(2-fluorophenyl)furan-2-carbonyl]pyridine-3-carbohydrazide
CID 51180148
(Z)-3-[5-(2,5-dichlorophenyl)furan-2-yl]-1-phenylprop-2-en-1-one
CID 5342442
(E)-3-pyridin-2-yl-1-pyridin-3-ylprop-2-en-1-one
CID 19553305
(E)-3-(2-bromophenyl)-1-pyridin-3-ylprop-2-en-1-one
CID 7946379
3-(2-bromophenyl)-1-pyridin-3-ylprop-2-en-1-one
CID 78574297
methyl 2-[[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]-1,3-thiazole-5-carboxylate
CID 39725906
N-[(Z)-[5-(2-bromophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide
CID 9059991
N'-(4,6-dimethylpyrimidin-2-yl)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enehydrazide
CID 71899302
(E)-3-(3-bromo-4-fluorophenyl)-1-pyridin-3-ylprop-2-en-1-one
CID 7514892
3-[5-(2,3-dichlorophenyl)furan-2-yl]-1-(4-fluorophenyl)prop-2-en-1-one
CID 3124816

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-(2-fluorophenyl)furan-2-yl]-1-pyridin-3-ylprop-2-en-1-one?
The IUPAC name of (E)-3-[5-(2-fluorophenyl)furan-2-yl]-1-pyridin-3-ylprop-2-en-1-one (CID 9185084) is (E)-3-[5-(2-fluorophenyl)furan-2-yl]-1-pyridin-3-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-[5-(2-fluorophenyl)furan-2-yl]-1-pyridin-3-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-[5-(2-fluorophenyl)furan-2-yl]-1-pyridin-3-ylprop-2-en-1-one is O=C(/C=C/c1ccc(-c2ccccc2F)o1)c1cccnc1.
What is the InChIKey of (E)-3-[5-(2-fluorophenyl)furan-2-yl]-1-pyridin-3-ylprop-2-en-1-one?
The InChIKey is DFTHAQXITXYPSD-VQHVLOKHSA-N. The full InChI is InChI=1S/C18H12FNO2/c19-16-6-2-1-5-15(16)18-10-8-14(22-18)7-9-17(21)13-4-3-11-20-12-13/h1-12H/b9-7+.
What are the key properties of (E)-3-[5-(2-fluorophenyl)furan-2-yl]-1-pyridin-3-ylprop-2-en-1-one?
(E)-3-[5-(2-fluorophenyl)furan-2-yl]-1-pyridin-3-ylprop-2-en-1-one has a molecular weight of 293.30 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-(2-fluorophenyl)furan-2-yl]-1-pyridin-3-ylprop-2-en-1-one is sourced from PubChem (CID 9185084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).